[Wien] pure d-orbital component

2010-01-02 Thread Pavel Novak 
Dear colleague,

you can use the program QTL - see the usersguide.
Pavel 
On Sat, 2 Jan 2010, ?? wrote:

 Dear All,
   I was about to calculate the structure of space group Pnma.When
 plotted the dos of d-orbital for each component such as dz2.Unfortunely, the
 component was mixed up together,it is impossible to distinguish the t2g and
 eg.So I am wondering is there an easy way to get the pure component of each
 orbital.

   Thank all.

 Pan Deng
 Nanjing University


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[Wien] pure d-orbital component

2010-01-02 Thread 潘登 
Dear All,
   I was about to calculate the structure of space group Pnma.When
plotted the dos of d-orbital for each component such as dz2.Unfortunely, the
component was mixed up together,it is impossible to distinguish the t2g and
eg.So I am wondering is there an easy way to get the pure component of each
orbital.

   Thank all.

 Pan Deng
Nanjing University
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